Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P39060
UPID:
COIA1_HUMAN
Alternative names:
-
Alternative UPACC:
P39060; A8MVI4; Q58EX6; Q6RZ39; Q6RZ40; Q6RZ41; Q8N4S4; Q8WXI5; Q96T70; Q9UK38; Q9Y6Q7; Q9Y6Q8
Background:
Collagen alpha-1(XVIII) chain plays a pivotal role in retinal structure and neural tube closure. It regulates extracellular matrix-dependent cell motility and morphogenesis, involving MAPK signaling and homotrimerization. This protein also significantly inhibits endothelial cell proliferation and angiogenesis, affecting VEGFA-induced signaling and endothelial cell migration through integrin interactions.
Therapeutic significance:
Linked to Knobloch syndrome 1 and primary closed-angle glaucoma, Collagen alpha-1(XVIII) chain's understanding could lead to novel treatments for these conditions. Its role in inhibiting angiogenesis and modulating endothelial cell functions presents a potential therapeutic target for diseases characterized by abnormal vascular growth and eye disorders.